4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H19N3O3 — CID 122088413

IUPAC4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)NC2CCC(C(=O)O)CC2)ccn1
InChIInChI=1S/C14H19N3O3/c1-9-8-12(6-7-15-9)17-14(20)16-11-4-2-10(3-5-11)13(18)19/h6-8,10-11H,2-5H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyLQQNBDOZBUQZRQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.15
Rot. Bonds3

About 4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122088413) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122088413
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)NC2CCC(C(=O)O)CC2)ccn1
InChIInChI=1S/C14H19N3O3/c1-9-8-12(6-7-15-9)17-14(20)16-11-4-2-10(3-5-11)13(18)19/h6-8,10-11H,2-5H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyLQQNBDOZBUQZRQ-UHFFFAOYSA-N
XLogP2.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
4-[(4-carbamoyl-3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079465
4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 66355665
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
4-[(4-methoxycarbonyl-2-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089442
4-[(3,5-dimethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094174
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236
1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
CID 130682535
4-[(3-carbamoyl-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094809
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122088413) is 4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1cc(NC(=O)NC2CCC(C(=O)O)CC2)ccn1.
What is the InChIKey of 4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is LQQNBDOZBUQZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-8-12(6-7-15-9)17-14(20)16-11-4-2-10(3-5-11)13(18)19/h6-8,10-11H,2-5H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122088413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).